SCHEMBL6188036

SCHEMBL6188036

O=C(Nc1cccc(Cl)c1)Nc1n[nH]c2ncnc(Nc3cccc(Cl)c3)c12

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.64
CDK1 P06493 11/20 0.64
SRC P12931 9/20 0.64
ABL1 P00519 14/20 0.63
PRKCA P17252 7/20 0.63
PDGFRB P09619 1/20 0.55
PDGFRA P16234 1/20 0.55
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
ABL2 P42684 2/20 0.52
ERBB2 P04626 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6188052 0.87 EGFR (0.56) EGFRCDK1SRCABL1PRKCA
SCHEMBL8115748 0.87 EGFR (0.77) EGFRCDK1SRCABL1PRKCA
SCHEMBL6186105 0.87 EGFR (0.65) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187901 0.86 EGFR (0.61) EGFRCDK1SRCABL1PRKCA
SCHEMBL6187995 0.86 EGFR (0.66) EGFRCDK1SRCABL1PRKCA
SCHEMBL6186561 0.86 EGFR (0.74) EGFRCDK1SRCABL1PRKCA
SCHEMBL6189636 0.85 EPHX1 (0.60) EGFRCDK1SRCABL1PRKCA
SCHEMBL6189468 0.85 EGFR (0.61) EGFRCDK1SRCABL1PRKCA
SCHEMBL8122758 0.84 EGFR (0.61) EGFRCDK1SRCABL1PRKCA
SCHEMBL8115045 0.83 EGFR (0.78) EGFRCDK1SRCABL1PRKCA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929553-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2005-03-16 EP disclosed
US-6251911-B1 Pyrimidine derivatives and processes for the preparation thereof NOVARTIS AG (CH) 2001-06-26 US disclosed
EP-0929553-A1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1999-07-21 EP disclosed
WO-1998014450-A1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1998-04-09 WO disclosed